MMsINC Database Search


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MMsINC code: MMs02034934

Type: Neutral
Formula: C₁₈H₁₆FN₃O₃

SMILES:

Fc1ccccc1NC(=O)C=1C(NC(=O)NC=1C)c1ccc(O)cc1

InChI:

InChI=1/C18H16FN3O3/c1-10-15(17(24)21-14-5-3-2-4-13(14)19)16(22-18(25)20-10)11-6-8-12(23)9-7-11/h2-9,16,23H,1H3,(H,21,24)(H2,20,22,25)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.3227 kcal/mol

Physical Properties
Molecular Weight: 341.342 g/mol	logS: -4.03885	SlogP: 2.8934	Reactive groups: 0

Topological Properties
Globularity: 0.195354	Sterimol/B1: 2.50867	Sterimol/B2: 3.35345	Sterimol/B3: 4.39596
Sterimol/B4: 9.8373	Sterimol/L: 14.2012

Surface and Volume Properties
Accessible surface: 548.065	Positive charged surface: 304.766	Negative charged surface: 243.299	Volume: 305.125
Hydrophobic surface: 380.354	Hydrophilic surface: 167.711

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.